Description
4-Methoxybenzenethiol (CAS No. 696-63-9) is a high-purity aromatic thiol compound with the molecular formula C7H8OS. This versatile chemical is widely used in organic synthesis, pharmaceuticals, and material science due to its reactive thiol (-SH) group and methoxy (-OCH3) substituent. The compound is supplied as a clear to pale yellow liquid with a characteristic sulfurous odor, and it is stored under inert conditions to ensure stability. With a purity of ≥98% (GC), our 4-Methoxybenzenethiol is ideal for nucleophilic reactions, metal complexation, and as a building block for advanced intermediates. Proper handling is required due to its sensitivity to oxidation and potential irritant properties. Available in various packaging options, including amber glass bottles and sealed drums, to suit laboratory and industrial-scale applications.
Properties
- CAS Number: 696-63-9
- Complexity: 77
- IUPAC Name: 4-methoxybenzenethiol
- InChI: InChI=1S/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3
- InChI Key: NIFAOMSJMGEFTQ-UHFFFAOYSA-N
- Exact Mass: 140.02958605
- Molecular Formula: C7H8OS
- Molecular Weight: 140.20
- SMILES: COC1=CC=C(C=C1)S
- Topological: 10.2
- Monoisotopic Mass: 140.02958605
- Synonyms: 4-Methoxybenzenethiol, 4-Methoxythiophenol, Benzenethiol, 4-methoxy-, p-Methoxybenzenethiol, 4-methoxybenzene-1-thiol, BENZENETHIOL, p-METHOXY-, 4-Mercaptoanisole, p-methoxythiophenol, para-Methoxybenzenethiol, NSC 100727, EINECS 211-799-2, 4-methoxyphenylthiol, p-Methoxy thiophenol, BRN 1446910, 68N68LMU0G, P-MERCAPTOANISOLE, P-METHOXYPHENYLTHIOL, NSC-100727, UNII-68N68LMU0G, METHOXYBENZENETHIOL, 4-, P-METHOXYPHENYL MERCAPTAN, 4-METHOXYPHENYL MERCAPTAN, NIFAOMSJMGEFTQ-UHFFFAOYSA-, DTXSID60219873, Benzenethiol, 4-methoxy-(9CI), DTXCID10142364, 211-799-2, 4-06-00-05790 (beilstein handbook reference), inchi=1/c7h8os/c1-8-6-2-4-7(9)5-3-6/h2-5,9h,1h3, nifaomsjmgeftq-uhfffaoysa-n, 696-63-9, 4-Methoxy-benzenethiol, 4-Methoxy thiophenol, 4-mercaptoanisol, 4methoxythiophenol, 4methoxybenzenethiol, 4-methoxybenzenthiol, 4-methoxy-thiophenol, MFCD00004849, NSC100727, 4-methoxylbenzenethiol, 4-methoxy benzenethiol, 4-methoxybenzene thiol, 4-methoxy-benzene thiol, 4-(methyloxy)benzenethiol, WLN: SHR DO1, 4-Methoxythiophenol, 97%, SCHEMBL50513, SCHEMBL50514, CHEMBL119636, SCHEMBL6653005, CS-D1129, STR00751, BBL027485, STL374080, AKOS005203301, AC-7112, FM36232, DB-055318, M1333, NS00015223, 4-Methoxythiophenol, purum, >=98.0% (GC), EN300-11815, D78094, F0001-1809, QU5
Application
4-Methoxybenzenethiol is commonly employed as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty polymers. Its thiol group enables efficient conjugation reactions, making it valuable for creating sulfur-containing heterocycles or modifying biomolecules. In materials science, it serves as a ligand for metal catalysts or a surface modifier for nanoparticles. Researchers also utilize it in the development of odorants and flavoring agents due to its aromatic properties.
Safety and Hazards
GHS Hazard Statements
- H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]
- H312 (78.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
- H315 (89.3%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (89.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H332 (78.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]
- H335 (83.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statements
- P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Hazard Classes and Categories
- Acute Tox. 4 (98.2%)
- Acute Tox. 4 (78.6%)
- Skin Irrit. 2 (89.3%)
- Eye Irrit. 2 (89.3%)
- Acute Tox. 4 (78.6%)
- STOT SE 3 (83.9%)
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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.


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